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Hydroxyurea
CAS: 127-07-1 | CH4N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
127-07-1
Molecular Formula:
CH4N2O2
Molecular Mass:
76.06 g/mol
Names and Synonyms:
Hydroxyurea
Urea, N-hydroxy-
Urea, hydroxy-
N-Hydroxyurea
SQ 1089
NSC 32065
Carbamohydroxamic acid
HU
Hydrea
Hydroxycarbamide
Hydroxylurea
Hydroxyurea
Hydroxylamine, N-(aminocarbonyl)-
Carbamoyl oxime
Carbamohydroximic acid
Hydroxycarbamine
Litaler
Oxyurea
Hidrix
Hydreia
Hydura
Litalir
Onco-Carbide
Biosupressin
NCI C04831
N-Carbamoylhydroxylamine
Hydurea
SK 22591
Oxyrea
Droxia
Cytodrox
Siklos
Mylocel
1-Hydroxyurea
Xromi
Identifiers:
SMILES:
N=C(O)NO
InChI:
InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
Key Properties
Melting Point
141 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 76.06 g/mol | CAS Common Chemistry |
| 76.05499999999999 g/mol | RDKit | |
| 76.027277368 g/mol | RDKit | |
| Canonical SMILES | O=C(N)NO | CAS Common Chemistry |
| InChI | InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=VSNHCAURESNICA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141 °C | CAS Common Chemistry |
| Name | Hydroxyurea | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.34 Ų | RDKit |
| LogP | -0.54203 | RDKit |
| Molar Refractivity | 15.2777 | RDKit |
